Uploads by Ch3114
This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | Description | Versions |
|---|---|---|---|---|---|
| 18:35, 9 March 2017 | CH3114 Thermo Chem.jpg (file) |  |
84 KB | 1 | |
| 16:40, 9 March 2017 | CH3114 MO diagram.jpg (file) |  |
36 KB | 1 | |
| 16:35, 9 March 2017 | CH3114 2 3 ENDO IRC.gif (file) |  |
602 KB | 1 | |
| 16:34, 9 March 2017 | CH3114 GIF 3 ENDO IRC.gif (file) |  |
160 KB | Reverted to version as of 15:31, 9 March 2017 | 3 |
| 16:32, 9 March 2017 | CH3114 2 3 ENDO IRC.jpg (file) |  |
87 KB | 1 | |
| 16:29, 9 March 2017 | CH3114 3 ENDO IRC.jpg (file) |  |
87 KB | 3 | |
| 16:14, 9 March 2017 | CH3114 GIF 3 EXO IRC.gif (file) |  |
648 KB | 2 | |
| 15:24, 9 March 2017 | CH3114 3 CHEL IRC.gif (file) |  |
840 KB | 1 | |
| 15:20, 9 March 2017 | CH3114 CHELO IRC.jpg (file) |  |
123 KB | 2 | |
| 14:28, 9 March 2017 | CH3114 3 EXO IRC.jpg (file) |  |
90 KB | 1 | |
| 14:23, 9 March 2017 | CH3114 CHELPROD OPTFREQ MIN PM6 1.LOG (file) |  |
555 KB | 1 | |
| 14:22, 9 March 2017 | CH3114 EXOPROD OPTFREQ MIN PM6 1.LOG (file) | |
628 KB | 1 | |
| 14:21, 9 March 2017 | CH3114 ENDOPROD OPTFREQ MIN PM6 1.LOG (file) | |
1.38 MB | 1 | |
| 19:05, 8 March 2017 | CH3114 TS imaginary vibration.gif (file) |  |
590 KB | 2 | |
| 18:36, 8 March 2017 | CH3114 CYCLOHEXADIENE OPTFREQ MIN PM6 MOS.LOG (file) | |
201 KB | 1 | |
| 18:31, 8 March 2017 | CH3114 ENDOTS OPTFREQ TS B31G MOS.LOG (file) | |
2.34 MB | 1 | |
| 18:06, 8 March 2017 | CH3114 EXO TS B3LYP.LOG (file) | |
3.55 MB | 1 | |
| 17:41, 8 March 2017 | CH3114 REACTION-OPTFREQ-B3LYP-TS.LOG (file) | |
1.32 MB | 1 | |
| 17:39, 8 March 2017 | CH3114 ENDOOPTFREQTSB3LYP1.LOG (file) | |
3.71 MB | 1 | |
| 17:39, 8 March 2017 | CH3114 EXO OPTFREQ TS B3LY 2.LOG (file) | |
3.55 MB | 1 | |
| 17:38, 8 March 2017 | CH3114 EXOPROD OPTFREQ MIN B3LYP.LOG (file) | |
3.46 MB | 1 | |
| 17:37, 8 March 2017 | CH3114 ENDO PRODUCT OPTFREQ B3LYP.LOG (file) | |
3.53 MB | 1 | |
| 17:36, 8 March 2017 | CH3114CYCLOHEXADIENEOPTFREQMINPM61.LOG (file) | |
375 KB | 1 | |
| 17:36, 8 March 2017 | CH3114 DIOXOLE OPTFREQ MIN PM6 MOS 1.LOG (file) | |
123 KB | 1 | |
| 20:21, 7 March 2017 | LUMO-butadiene.gif (file) |  |
63 KB | Lumo Butadiene | 1 |
| 20:21, 7 March 2017 | HOMO-butadiene.gif (file) |  |
60 KB | butadiene homo | 1 |
| 20:20, 7 March 2017 | HOMO AS.jpg (file) |  |
72 KB | Homo u | 1 |
| 20:20, 7 March 2017 | HOMO S.jpg (file) |  |
65 KB | Homo g | 1 |
| 20:19, 7 March 2017 | LUMO S.jpg (file) |  |
76 KB | Lumo g | 1 |
| 20:18, 7 March 2017 | LUMO+1AS.jpg (file) |  |
79 KB | LUMO u | 1 |
| 20:18, 7 March 2017 | HOMO-ethene.jpg (file) |  |
56 KB | ethene HOMO | 1 |
| 20:18, 7 March 2017 | LUMO-ethene.jpg (file) |  |
62 KB | ethene Lumo | 1 |
| 20:13, 7 March 2017 | RMS.jpg (file) |  |
168 KB | RMS Graph Image | 2 |
| 20:12, 7 March 2017 | IRC.jpg (file) |  |
157 KB | IRC TABLE IMAGE | 3 |
| 17:24, 7 March 2017 | BUTADIENE PM6 MINIMUM OPTFREQ.LOG (file) | |
353 KB | Butadiene PM6 Minimisation log file | 1 |
| 17:23, 7 March 2017 | ETHENE MINIMUM PM6.LOG (file) | |
122 KB | Ethene PM6 minimisation log file | 1 |
| 10:42, 18 November 2016 | Position vs time.png (file) |  |
18 KB | 1 | |
| 23:14, 17 November 2016 | VACF vs timestep.png (file) |  |
40 KB | 1 | |
| 23:13, 17 November 2016 | MSDvTS Vapour.png (file) |  |
36 KB | 1 | |
| 23:13, 17 November 2016 | MSDvTS Solid.png (file) |  |
30 KB | 1 | |
| 23:12, 17 November 2016 | MSDvsTS Liquid.png (file) |  |
29 KB | 1 | |
| 22:14, 16 November 2016 | RDF vs Distance.png (file) |  |
25 KB | 1 | |
| 20:57, 16 November 2016 | CoV vs T.png (file) |  |
18 KB | 1 | |
| 20:54, 16 November 2016 | Example input script.txt (file) |  |
2 KB | 1 | |
| 20:49, 16 November 2016 | NpT graph.jpg (file) |  |
69 KB | 1 | |
| 20:37, 16 November 2016 | Energy vs time at various timesteps.png (file) |  |
81 KB | 1 | |
| 20:19, 16 November 2016 | Temp vs time (first 25s) timestep =0.001.png (file) | _timestep_%3D0.001.png) |
27 KB | 1 | |
| 20:19, 16 November 2016 | Press vs time (first 25s) timestep = 0.001.png (file) | _timestep_%3D_0.001.png) |
36 KB | 1 | |
| 20:18, 16 November 2016 | Energy vs time (first 25s) timestep = 0.001.png (file) | _timestep_%3D_0.001.png) |
30 KB | 1 | |
| 18:44, 16 November 2016 | TASK1 energy v time 0.3.png (file) |  |
38 KB | 1 |
